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Ho2In3Sn2

Alexandria ALEX

Alex-ID: agm003306347 · Space group: C2/m (#12)

Basic Information

Formula
Ho2In3Sn2
Alex-ID
agm003306347
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
186.92
ų
Cell a
4.5466
Å
Cell b
6.1710
Å
Cell c
7.1700
Å
α angle
91.79
°
β angle
90.00
°
γ angle
111.62
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2In3Sn2
Ho
2.00 · 28.6%
In
3.00 · 42.9%
Sn
2.00 · 28.6%

Energy & Stability

Energy above hull
0.1414
eV/atom
Formation energy
-0.3217
eV/atom
Corrected total energy
-27.7234
eV
Raw total energy
-27.7234
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.8567
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_25_spg12

Decomposition

HoIn3 HoSn2

Computed at

2022-02-03 16:46:41.125317

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003306347).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm003306347
data_agm003306347
_cell_length_a     4.54655
_cell_length_b     6.17105
_cell_length_c     7.17001
_cell_angle_alpha  91.78898
_cell_angle_beta   90.00000
_cell_angle_gamma  111.61560
_cell_volume       186.91630
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Ho1 Ho 0.14264 0.28529 0.39216 1.00000
  Ho2 Ho 0.85736 0.71471 0.60784 1.00000
  In1 In 0.25879 0.51757 0.86331 1.00000
  In2 In 0.00000 0.00000 0.00000 1.00000
  In3 In 0.74121 0.48243 0.13669 1.00000
  Sn1 Sn 0.56961 0.13922 0.68217 1.00000
  Sn2 Sn 0.43039 0.86078 0.31783 1.00000
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